SCHEMBL8169581

SCHEMBL8169581

O=C(NC[C@H]1CN(c2ccc([C@H]3CC[S@@+]([O-])CC3)c(F)c2)C(=O)O1)C(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.48
F10 P00742 13/20 0.47
MAOB P27338 3/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6963059 1.00 MAOA (0.48) MAOAF10MAOBLMNAPTGS1
SCHEMBL8163144 1.00 MAOA (0.48) MAOAF10MAOBLMNAPTGS1
SCHEMBL8163146 1.00 MAOA (0.48) MAOAF10MAOBLMNAPTGS1
SCHEMBL6164308 0.88 MAOA (0.60) MAOAF10MAOBLMNAPTGS1
SCHEMBL1176221 0.88 MAOA (0.60) MAOAF10MAOBLMNAPTGS1
SCHEMBL6164776 0.88 MAOA (0.60) MAOAF10MAOBLMNAPTGS1
SCHEMBL6164310 0.88 MAOA (0.60) MAOAF10MAOBLMNAPTGS1
SCHEMBL8168782 0.88 MAOB (0.62) MAOAF10MAOBLMNAPTGS1
SCHEMBL6397708 0.88 F10 (0.52) MAOAF10MAOBLMNAPTGS1
SCHEMBL8168783 0.88 MAOB (0.62) MAOAF10MAOBLMNAPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6083967-A ANTIMICROBIAL AGENTS; ASSAY FOR DETERMINING THE INHIBITORY ACTIVITY OF OXAZOLIDINONES TO HUMAN MONOAMINE OXIDASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US claimed
US-6083967-A ANTIMICROBIAL AGENTS; ASSAY FOR DETERMINING THE INHIBITORY ACTIVITY OF OXAZOLIDINONES TO HUMAN MONOAMINE OXIDASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US disclosed